1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[4-oxo-3-pentyl-2-(p-tolylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-methylphenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-methylphenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C28H34N4O3S MolecularWeight: 506.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)C

InChI

InChI=1S/C28H34N4O3S/c1-3-4-5-14-32-27(35)23-11-10-22(26(34)31-15-12-21(13-16-31)25(29)33)17-24(23)30-28(32)36-18-20-8-6-19(2)7-9-20/h6-11,17,21H,3-5,12-16,18H2,1-2H3,(H2,29,33)